1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one

C15H30N2O — CID 58055826

IUPAC1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)11-13(18)12-16-7-9-17(10-8-16)15(4,5)6/h7-12H2,1-6H3
InChIKeyMIHGJIKVCCZMPS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds3

About 1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one

1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one (PubChem CID 58055826) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one
PubChem CID58055826
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)11-13(18)12-16-7-9-17(10-8-16)15(4,5)6/h7-12H2,1-6H3
InChIKeyMIHGJIKVCCZMPS-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one (CID 58055826) is 1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one is CC(C)(C)CC(=O)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one?
The InChIKey is MIHGJIKVCCZMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)11-13(18)12-16-7-9-17(10-8-16)15(4,5)6/h7-12H2,1-6H3.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one?
1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one has a molecular weight of 254.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one is sourced from PubChem (CID 58055826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).